methyl-(3-octadecoxy-2-phenylmethoxy-propyl)-(6-oxidanylhexyl)sulfanium bromide

Systemtic Name: methyl-(3-octadecoxy-2-phenylmethoxy-propyl)-(6-oxidanylhexyl)sulfanium bromide Openeye Name: (2-benzyloxy-3-octadecoxy-propyl)-(6-hydroxyhexyl)-methyl-sulfonium bromide CAS Name: 6-hydroxyhexyl-methyl-(3-octadecoxy-2-phenylmethoxypropyl)sulfonium bromide IUPAC Name: 6-hydroxyhexyl-methyl-(3-octadecoxy-2-phenylmethoxypropyl)sulfanium bromide Traditional Name: (2-benzoxy-3-stearyloxy-propyl)-(6-hydroxyhexyl)-methyl-sulfonium bromide Formula: C35H65BrO3S MolecularWeight: 645.8578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(C[S+](C)CCCCCCO)OCC1=CC=CC=C1.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(C[S+](C)CCCCCCO)OCC1=CC=CC=C1.[Br-]

InChI

InChI=1S/C35H65O3S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-24-29-37-32-35(38-31-34-26-21-20-22-27-34)33-39(2)30-25-19-17-23-28-36;/h20-22,26-27,35-36H,3-19,23-25,28-33H2,1-2H3;1H/q+1;/p-1